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Hartree-Fock quantum Monte Carlo method

摘要

QUANTUM Monte Carlo (QMC) approach has already been successfully utilized in quantumchemistry. However, QMC algorithm brings statistical errors that are sharply increasedas the investigated system is enlarged. We proposed in terms of correlated sampling a novel al-gorithm with a better precision and a smaller error. However, the modified QMC methodproposed has still two problems: (i) the 'random term' in the process of calculation is un-

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